Study on micro-structure and transport properties of KF-NaF-AlF3-Al2O3 system by first-principles molecular dynamics simulation
Hui Guo, Jie Li, Hongliang Zhang, Jiawei Luo, Jingkun Wang, Chunling Mou, Shangyuan Wu, Chuanxin Zong
Topics & Concepts
ChemistryElectrolyteIonic bondingMolecular dynamicsIonIonic conductivityElectrolysisAluminiumIonic liquidCoordination numberInorganic chemistryPhysical chemistryComputational chemistryCatalysisElectrodeOrganic chemistryMolten salt chemistry and electrochemical processesInorganic Fluorides and Related CompoundsThermal Expansion and Ionic Conductivity